Geometry & MOs

Info

ID:	390097
PubChem CID:	134997043
Reduced:	AlNOC17H29 (1)
Stoich.:	ABCD17E29 (1)
Weight, g/mol:	185.876006
ΔH_f, kcal/mol:	-26.57
Dipole, Da:	8.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.940702
Charge, e:	0

Chem-info

IUPAC name:

trithiole-4,5-dithiol

Drug info:

PubChemData

Smile

CC(C)C[Al-](C)(CC(C)C)/N=C/C1=CC=CC=C1OC

DOS

IR

Vibrations